CID 28966

18220-68-3

Structural Information

Molecular Formula

C₂₀H₃₂N₂

SMILES

C1C2CC3(CC1CC(C2)(C3)N)C45CC6CC(C4)CC(C6)(C5)N

InChI

InChI=1S/C20H32N2/c21-19-7-13-1-14(8-19)4-17(3-13,11-19)18-5-15-2-16(6-18)10-20(22,9-15)12-18/h13-16H,1-12,21-22H2

InChIKey

SOKRCBPOBAYQBS-UHFFFAOYSA-N

Compound name

3-(3-amino-1-adamantyl)adamantan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 92
Patents: 300.25656 Da
Monoisotopic Mass: 3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	301.26384	193.0
[M+Na]+	323.24578	197.7
[M+NH4]+	318.29038	210.1
[M+K]+	339.21972	182.0
[M-H]-	299.24928	190.7
[M+Na-2H]-	321.23123	184.3
[M]+	300.25601	193.5
[M]-	300.25711	193.5

Literature stripe

literature stripe

Patent stripe

patents stripe